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"id": "jvasp-21013",
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"structure_string": "K4 Te4 F20\n1.0\n4.665242 -0.000000 0.000000\n0.000000 9.009526 0.000000\n0.000000 0.000000 11.413410\nK Te F\n4 4 20\ndirect\n0.465025 0.250000 0.000000 K\n0.534975 0.750000 0.500000 K\n0.534975 0.750000 0.000000 K\n0.465025 0.250000 0.500000 K\n0.104921 0.052514 0.250000 Te\n0.104921 0.447486 0.750000 Te\n0.895078 0.552514 0.250000 Te\n0.895078 0.947486 0.750000 Te\n0.616214 0.015193 0.627235 F\n0.616214 0.015193 0.872765 F\n0.616214 0.484808 0.127235 F\n0.941513 0.317343 0.876441 F\n0.383785 0.984808 0.372765 F\n0.941513 0.182657 0.123559 F\n0.616214 0.484808 0.372765 F\n0.383785 0.515193 0.627235 F\n0.383785 0.515193 0.872765 F\n0.941513 0.317343 0.623559 F\n0.058487 0.817343 0.876441 F\n0.058487 0.682657 0.123559 F\n0.058487 0.682657 0.376441 F\n0.941513 0.182657 0.376441 F\n0.371372 0.216012 0.250000 F\n0.371372 0.283988 0.750000 F\n0.628628 0.716012 0.250000 F\n0.628628 0.783988 0.750000 F\n0.383785 0.984808 0.127235 F\n0.058487 0.817343 0.623559 F\n",
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{
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"structure_string": "Sn16 Rh4\n1.0\n6.193496 0.013709 -10.950600\n-0.417154 6.179447 -10.950600\n-0.012786 -0.013709 12.580734\nSn Rh\n16 4\ndirect\n0.136761 0.636578 0.147024 Sn\n0.510262 0.010446 0.147024 Sn\n0.010262 0.863240 0.499818 Sn\n0.260446 0.260262 0.647023 Sn\n0.760446 0.113422 0.000183 Sn\n0.239738 0.239554 0.352977 Sn\n0.739739 0.386761 0.000184 Sn\n0.989555 0.136578 0.499818 Sn\n0.489555 0.989739 0.852977 Sn\n0.863423 0.363240 0.852977 Sn\n0.113240 0.760262 0.999817 Sn\n0.613240 0.613423 0.352977 Sn\n0.386578 0.739555 0.999817 Sn\n0.886579 0.886761 0.647024 Sn\n0.636761 0.489738 0.500183 Sn\n0.363423 0.510446 0.500183 Sn\n0.000000 0.500000 0.500000 Rh\n0.750001 0.750001 0.000001 Rh\n0.250000 0.250000 0.000000 Rh\n0.500000 -0.000000 0.500000 Rh\n",
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{
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"updated_at": "2022-09-04T14:38:10.948756Z",
"structure_string": "Na12 Mn2 S8\n1.0\n4.474089 -7.749349 0.000000\n4.474089 7.749349 -0.000000\n0.000000 -0.000000 6.917682\nNa Mn S\n12 2 8\ndirect\n0.531668 0.063336 0.367474 Na\n0.063336 0.531668 0.867474 Na\n0.936665 0.468332 0.367474 Na\n0.531668 0.468332 0.367474 Na\n0.854235 0.145765 0.036917 Na\n0.708470 0.854235 0.536917 Na\n0.468332 0.936665 0.867474 Na\n0.854235 0.708470 0.036917 Na\n0.291530 0.145765 0.036917 Na\n0.145765 0.854235 0.536917 Na\n0.468332 0.531668 0.867474 Na\n0.145765 0.291530 0.536917 Na\n0.666667 0.333333 0.750918 Mn\n0.333333 0.666667 0.250918 Mn\n0.813537 0.627074 0.641936 S\n0.186463 0.372926 0.141936 S\n0.627074 0.813537 0.141936 S\n0.333333 0.666667 0.597599 S\n0.666667 0.333333 0.097599 S\n0.186463 0.813537 0.141936 S\n0.813537 0.186463 0.641936 S\n0.372926 0.186463 0.641936 S\n",
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"structure_string": "Cd2 Sb6 S11\n1.0\n3.852975 0.000000 0.000000\n0.000000 9.701295 0.634203\n0.000000 0.144060 12.840625\nCd Sb S\n2 6 11\ndirect\n0.500001 0.756939 0.268156 Cd\n-0.000000 0.280779 0.774085 Cd\n0.500001 0.225240 0.219984 Sb\n-0.000000 0.732351 0.722453 Sb\n-0.000000 0.566615 0.034874 Sb\n0.500001 0.471657 0.491516 Sb\n-0.000000 0.088265 0.493304 Sb\n0.500001 0.027976 0.953423 Sb\n-0.000000 0.316284 0.382392 S\n-0.000000 0.000336 0.819132 S\n0.500001 0.016478 0.345835 S\n0.500001 0.211163 0.601588 S\n0.500001 0.814687 0.604752 S\n0.500001 0.283363 0.909361 S\n-0.000000 0.663202 0.393502 S\n0.500001 0.642035 0.911116 S\n-0.000000 0.119010 0.119437 S\n-0.000000 0.783019 0.118004 S\n-0.000000 0.493600 0.644881 S\n",
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{
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"created_at": "2022-09-04T14:38:46.254055Z",
"updated_at": "2022-09-04T14:38:46.254091Z",
"structure_string": "Zr6 Al16 Pd7\n1.0\n7.608993 -0.000000 4.393054\n2.536331 7.173827 4.393054\n-0.000000 -0.000000 8.786108\nZr Al Pd\n6 16 7\ndirect\n0.685952 0.685953 0.314047 Zr\n0.314047 0.685953 0.314047 Zr\n0.685952 0.314048 0.314047 Zr\n0.314047 0.314048 0.685952 Zr\n0.685952 0.314048 0.685952 Zr\n0.314047 0.685953 0.685952 Zr\n0.334546 0.334546 0.334546 Al\n0.996361 0.334546 0.334546 Al\n0.334546 0.996362 0.334546 Al\n0.334546 0.334546 0.996361 Al\n0.665453 0.665454 0.665453 Al\n0.003639 0.665454 0.665454 Al\n0.665453 0.003639 0.665454 Al\n0.665453 0.665454 0.003638 Al\n0.639103 0.120299 0.120298 Al\n0.120298 0.639103 0.120298 Al\n0.120299 0.120299 0.639103 Al\n0.879701 0.879702 0.879701 Al\n0.360897 0.879702 0.879701 Al\n0.879701 0.360897 0.879701 Al\n0.879701 0.879702 0.360896 Al\n0.120299 0.120299 0.120299 Al\n-0.000000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.500000 0.000000 -0.000000 Pd\n",
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{
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"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
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{
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{
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"updated_at": "2022-09-04T14:37:28.830288Z",
"structure_string": "K4 Mn4 Cl12\n1.0\n3.855680 0.000000 0.000000\n0.000000 8.708818 0.000000\n0.000000 0.000000 14.276347\nK Mn Cl\n4 4 12\ndirect\n0.750000 0.068710 0.675320 K\n0.250000 0.431290 0.175320 K\n0.250000 0.931290 0.324680 K\n0.750000 0.568710 0.824680 K\n0.250000 0.666622 0.556129 Mn\n0.250000 0.166621 0.943871 Mn\n0.750000 0.833379 0.056129 Mn\n0.750000 0.333379 0.443871 Mn\n0.250000 0.284810 0.791370 Cl\n0.750000 0.828878 0.493218 Cl\n0.750000 0.715190 0.208630 Cl\n0.250000 0.522326 0.398649 Cl\n0.750000 0.477674 0.601351 Cl\n0.250000 0.171123 0.506782 Cl\n0.750000 0.215190 0.291370 Cl\n0.750000 0.977674 0.898649 Cl\n0.750000 0.328878 0.006782 Cl\n0.250000 0.022326 0.101351 Cl\n0.250000 0.784810 0.708630 Cl\n0.250000 0.671123 0.993218 Cl\n",
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{
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"structure_string": "Sr8 B4 N8 Cl4\n1.0\n4.161049 -0.000000 0.000000\n-0.000000 9.268974 0.000000\n0.000000 0.000000 12.428391\nSr B N Cl\n8 4 8 4\ndirect\n0.250000 0.882013 0.587069 Sr\n0.250000 0.617986 0.087069 Sr\n0.750000 0.382014 0.912931 Sr\n0.750000 0.117986 0.412931 Sr\n0.750000 0.942194 0.829958 Sr\n0.250000 0.057806 0.170042 Sr\n0.250000 0.442194 0.670042 Sr\n0.750000 0.557805 0.329958 Sr\n0.250000 0.828243 0.333969 B\n0.750000 0.171756 0.666031 B\n0.750000 0.328244 0.166031 B\n0.250000 0.671756 0.833969 B\n0.750000 0.301130 0.714074 N\n0.250000 0.698870 0.285926 N\n0.250000 0.801129 0.785926 N\n0.750000 0.462225 0.122904 N\n0.750000 0.037775 0.622904 N\n0.250000 0.962224 0.377096 N\n0.250000 0.537775 0.877096 N\n0.750000 0.198870 0.214074 N\n0.250000 0.145109 0.937721 Cl\n0.750000 0.854890 0.062279 Cl\n0.250000 0.354891 0.437721 Cl\n0.750000 0.645109 0.562279 Cl\n",
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{
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"structure_string": "Dy10 Ni2 Pb6\n1.0\n4.554748 -7.889055 0.000000\n4.554748 7.889055 -0.000000\n0.000000 0.000000 6.670062\nDy Ni Pb\n10 2 6\ndirect\n0.000000 0.239252 0.250000 Dy\n0.239252 0.000000 0.250000 Dy\n0.333333 0.666667 0.000000 Dy\n0.760748 0.000000 0.750000 Dy\n0.666667 0.333333 0.500000 Dy\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.760748 0.760748 0.250000 Dy\n0.239252 0.239252 0.750000 Dy\n0.000000 0.760748 0.750000 Dy\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.600977 0.000000 0.250000 Pb\n0.000000 0.600977 0.250000 Pb\n0.000000 0.399023 0.750000 Pb\n0.399023 0.399023 0.250000 Pb\n0.399023 0.000000 0.750000 Pb\n0.600977 0.600977 0.750000 Pb\n",
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}